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(1R,2R)-Boc-1,2-diaminocyclohexane

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Name

(1R,2R)-Boc-1,2-diaminocyclohexane

EINECS N/A
CAS No. 137731-41-0 Density 1.02 g/cm3
PSA 64.35000 LogP 2.87220
Solubility N/A Melting Point N/A
Formula C11H22N2O2 Boiling Point 322.1 °C at 760 mmHg
Molecular Weight 214.30 Flash Point 148.6 °C
Transport Information UN 3259 Appearance N/A
Safety 26-36/37/39-45 Risk Codes 36/37/38-34
Molecular Structure Molecular Structure of 137731-41-0 (1-N-BOC-1,2-TRANS-CYCLOHEXYLDIAMINE) Hazard Symbols CorrosiveC
Synonyms

Carbamicacid, (2-aminocyclohexyl)-, 1,1-dimethylethyl ester, trans-;Carbamic acid,[(1R,2R)-2-aminocyclohexyl]-, 1,1-dimethylethyl ester, rel- (9CI);trans-(2-Aminocyclohexyl)carbamic acid tert-butyl ester;trans-1-Amino-2-((tert-butoxycarbonyl)amino)cyclohexane;

 

(1R,2R)-Boc-1,2-diaminocyclohexane Specification

The (1R,2R)-Boc-1,2-diaminocyclohexane, with the CAS registry number 137731-41-0, is also known as 2-Methyl-2-propanyl [(1R,2R)-2-aminocyclohexyl]carbamate. This chemical's molecular formula is C11H22N2O2 and molecular weight is 214.30. What's more, both its IUPAC name and systematic name are the same which is called tert-Butyl N-[(1R,2R)-2-aminocyclohexyl]carbamate.

Physical properties about this chemical are: (1) ACD/LogP: 1.66; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1.38; (4) ACD/LogD (pH 7.4): -0.34; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1; (8) ACD/KOC (pH 7.4): 1.92; (9) #H bond acceptors: 4; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 32.78 Å2; (13) Index of Refraction: 1.488; (14) Molar Refractivity: 60.02 cm3; (15) Molar Volume: 208.2 cm3; (16) Surface Tension: 37.9 dyne/cm; (17) Density: 1.02 g/cm3; (18) Flash Point: 148.6 °C; (19) Enthalpy of Vaporization: 56.39 kJ/mol; (20) Boiling Point: 322.1 °C at 760 mmHg; (21) Vapour Pressure: 0.000286 mmHg at 25 °C.

When you are dealing with (1R,2R)-Boc-1,2-diaminocyclohexane, you should be very careful. This chemical is irritating to eyes, respiratory system, skin and may destroy living tissue on contact. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. In addition, in case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N[C@@H]1CCCC[C@H]1N
(2) InChI: InChI=1/C11H22N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t8-,9-/m1/s1
(3) InChIKey: AKVIZYGPJIWKOS-RKDXNWHRBA

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